EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Drinking Water Chemicals ; Indoor Environment Substances ; Plastic additives ; Surfactants
Molecule Category	Free-form
UNII	1160N9NU9U
EPA CompTox	DTXSID5021590

Keyword(s):

Food Contact Chemicals ; Drinking Water Chemicals ; Indoor Environment Substances ; Plastic additives ; Surfactants

Molecule Category

Free-form

UNII

1160N9NU9U

EPA CompTox

DTXSID5021590


InChI Key	POULHZVOKOAJMA-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCC(O)=O
InChI	InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)

InChI Key

POULHZVOKOAJMA-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCC(O)=O

InChI

InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)

Property Name	Value
Molecular Formula	C12H24O2
Molecular Weight	200.18
AlogP	3.99
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	10.0
Polar Surface Area	37.3
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C12H24O2

Molecular Weight

200.18

AlogP

3.99

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

10.0

Polar Surface Area

37.3

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	143-07-7
NORMAN SUSDAT
FDA SRS	1160N9NU9U
PubChem	3893
ChemSpider	3756.0

Resources

Reference

CAS NUMBER

143-07-7

NORMAN SUSDAT

FDA SRS

1160N9NU9U

PubChem

3893

ChemSpider

3756.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

DODECANOIC ACID

Structure

Physicochemical Descriptors

Cross References